terclim by ICS banner
IVES 9 IVES Conference Series 9 REVEALING THE ORIGIN OF BORDEAUX WINES WITH RAW 1D-CHROMATOGRAMS

REVEALING THE ORIGIN OF BORDEAUX WINES WITH RAW 1D-CHROMATOGRAMS

Abstract

Understanding the composition of wine and how it is influenced by climate or wine-making practices is a challenging issue. Two approaches are typically used to explore this issue. The first approach uses che-mical fingerprints, which require advanced tools such as high-resolution mass spectrometry and mul-tidimensional chromatography. The second approach is the targeted method, which relies on the widely available 1-D GC/MS, but involves integrating the areas under a few peaks which ends up using only a small fraction of the chromatogram.

Here, we employ state-of-the-art machine learning methods to optimize the analysis of 1-D GC/MS chromatograms. Specifically, we aim to determine whether these chromatograms contain valuable in-formation beyond the manually extracted peaks typically utilized in the targeted approach.

To explore those questions, we analyzed 4 different types of 1-D raw chromatograms (3 SIM and 1 full-scan) of 80 wines (12 vintages from 7 estates of the Bordeaux area. We first applied nonlinear dimensio-nality reduction techniques (T-SNE and UMAP) to the chromatograms to obtain 2D maps. In the resul-ting maps, wines of the same estates across multiple vintages tended to form clear clusters, whose spatial distribution reflected the geography of the Bordeaux wine region. This indicated that, for this particular set of wine, the raw chromatograms are highly informative about terroir and wine identity.

Next, we applied cross-validated classifiers to the raw chromatograms and found that we could recover perfectly well estates identity independent of vintage. By contrast, performance on vintage classifica-tion was much lower with a maximum performance of 50% correct.

Crucially, we found that the entire chromatogram is informative with respect to both of these variables. Thus, the extraction of specific peaks of the chromatogram to quantify the concentration of 32 known chemical compounds–discarding the rest of the chromatograms–led to worse classification perfor-mance, suggesting that estate identity is distributed over a large chemical spectrum, including many molecules that have yet to be identified.

In addition, the GC raw data can be used to predict the ratings of a professional wine critic (Robert Par-ker) above chance, thus suggesting that GC might also contain information about the organoleptic pro-perties of wine.

Overall, this study demonstrates the strong potential of raw chromatogram analysis for wine characte-rization and identification.

DOI:

Publication date: February 9, 2024

Issue: OENO Macrowine 2023

Type: Article

Authors

Michael Schartner¹, Jeff M. Beck², Justine Laboyrie³, Laurent Riquier³, Stephanie Marchand3*, Alexandre Pouget4*

1. Center for the Unknown. Champalimaud Institute. Lisbon. Portugal. 
2. Duke university. USA
3. Université de Bordeaux, ISVV, INRAE, UMR 1366 OENOLOGIE, 33140 Villenave d’Ornon, France
4. Département des neurosciences fondamentales. Université de Genève. Suisse. 

Contact the author*

Keywords

Machine learning, Wine composition, Sensorial classification, Terroir

Tags

IVES Conference Series | oeno macrowine 2023 | oeno-macrowine

Citation

Related articles…

METABOLIC INTERACTIONS OF SACCHAROMYCES CEREVISIAE COCULTURES: A WAY TO EXTEND THE AROMA DIVERSITY OF CHARDONNAY WINE

Yeast co-inoculations in winemaking have been investigated in various applications, but most often in the context of modulating the aromatic profiles of wines. Our study aimed to characterize S. cerevisiae interactions and their impact on wine by taking an integrative approach. Three cocultures and corresponding pure cultures of S. cerevisiae were characterized according to their fermentative capacities, the chemical composition and aromatic profile of the associated Chardonnay wines. The various strains studied within the cocultures showed different behaviors regarding their development.

UNEXPECTED PRODUCTION OF DMS POTENTIAL DURING ALCOOLIC FERMENTATION FROM MODEL CHAMPAGNE-LIKE MUSTS

The overall quality of aged wines is in part due to the development of complex aromas over a long period (1.) The apparition of this aromatic complexity depends on multiple chemical reactions that include the liberation of odorous compounds from non-odorous precursors. One example of this phenomenon is found in dimethyl sulphide (DMS) which, with its characteristic odor truffle, is a known contributor to the bouquet of premium aged wine bouquet (1). DMS supposedly accumulates during the ten first years of ageing thanks to the hydrolysis of its precursor dimethylsulfoniopropionate (DMSp.) DMSp is a possible secondary by-product from the degradation of S-methylmethionine (SMM), an amino acid iden- tified in grapes (2), which can be metabolized by yeast during alcoholic fermentation.

EXPLORING THE INFLUENCE OF S. CEREVISIAE MANNOPROTEINS ON WINE ASTRINGENCY AND THE IMPACT OF THEIR POLYSACCHARIDE STRUCTURE

Mannoproteins (MPs) are proteoglycans from the outmost layer of yeast cell walls released into wine during alcoholic fermentation and ageing on lees processes. The use of commercial preparations of mannoproteins as additives to improve wine stability with regards to the crystallization of tartaric salts and to prevent protein haze in the case of white and rosé wines is authorized by the OIV.
Regarding red wines and polyphenols, mannoproteins are described as able to improve their colloidal stability and modulate the astringent effect of condensed tannins. The latter interact with salivary proteins forming insoluble aggregates that cause a loss of lubrication in the mouth and promote a drying and puckering sensation. However, neither the interaction mechanisms involved in mannoproteins capacity to impact astringency nor the structure-function relationships related to this property are fully understood.

ACCUMULATION OF GRAPE METABOLITES IS DIFFERENTLY IMPACTED BY WATER DEFICIT AT THE BERRY AND PLANT LEVELS IN NEW FUNGUS DISEASE-TOLERANT GENOTYPES

The use of new fungus disease-tolerant varieties is a promising long-term solution to better manage chemical input in viticulture, but unfortunately little is known regarding these new hybrids fruit development and metabolites accumulation in front of abiotic stresses such as water deficit (WD). Thus, prior to the adoption of such varieties by the wine industry in Mediterranean regions, there is a need to consider their suitability to WD.

Molecular approaches for understanding and modulating wine taste

Wine consumers generally demand wines having a perception of softer tannins and less ripe, having a heaviness and richness on palate (full-body wine) with a limpid and stable color. However, polyphenol
(tannins)-rich wines have been also correlated with unpleasant taste properties such as astringency and
bitterness when perceived at high intensities. Modulating these unpleasant properties could be important for consumer’s approval of wines.